4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine

C23H20F2N6 — CID 46232290

IUPAC4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNCc1ccc(CNc2nc(Nc3cccc(F)c3)nc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H20F2N6/c24-18-4-1-3-17(11-18)21-29-22(27-14-16-9-7-15(13-26)8-10-16)31-23(30-21)28-20-6-2-5-19(25)12-20/h1-12H,13-14,26H2,(H2,27,28,29,30,31)
InChIKeyGELIKDSZQOJKBW-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.63
Rot. Bonds7

About 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine

4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 46232290) has the molecular formula C23H20F2N6 and a molecular weight of 418.45 g/mol. Its IUPAC name is 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID46232290
Molecular FormulaC23H20F2N6
Molecular Weight418.45 g/mol
Exact Mass418.17
IUPAC Name4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNCc1ccc(CNc2nc(Nc3cccc(F)c3)nc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H20F2N6/c24-18-4-1-3-17(11-18)21-29-22(27-14-16-9-7-15(13-26)8-10-16)31-23(30-21)28-20-6-2-5-19(25)12-20/h1-12H,13-14,26H2,(H2,27,28,29,30,31)
InChIKeyGELIKDSZQOJKBW-UHFFFAOYSA-N
XLogP4.63
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 46232290) is 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine is NCc1ccc(CNc2nc(Nc3cccc(F)c3)nc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GELIKDSZQOJKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6/c24-18-4-1-3-17(11-18)21-29-22(27-14-16-9-7-15(13-26)8-10-16)31-23(30-21)28-20-6-2-5-19(25)12-20/h1-12H,13-14,26H2,(H2,27,28,29,30,31).
What are the key properties of 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 418.45 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 46232290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).